Spin Crossover in New Iron(II) Coordination Compounds with Tris(pyrazol-1-yl)Methane
Abstract
:1. Introduction
2. Discussion
3. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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Complex | d(Fe–N)average | ||
---|---|---|---|
[Fe(HC(pz)3)2](CF3SO3)2 | 1.9645 | 30.948 | 1.497 |
[Fe(HC(pz)3)2]SiF6 | 1.9732 | 27.06 | 1.269 |
[Fe(HC(pz)3)2](C8H5O4)2.C8H6O4 | 1.9682 | 31.36 | 1.513 |
[Fe(HC(pz)3)2][Fe(HC(pz)3)(NCS)3](NCS).2H2O | 1.9697 | 29.745 | 1.43 |
[Fe(HC(pz)3)2]5(C[4]AS)2.62H2O | 1.9632 | 31.472 | 1.576 |
[Fe(HC(pz)3)2]I2 | 1.9743 | 27.24 | 1.402 |
[Fe(HC(pz)3)2]SO4.7H2O | 1.9578 | 28.228 | 1.375 |
[Fe(HC(pz)3)2](ReO4)2 | 1.9643 | 30.76 | 1.544 |
[Fe(HC(pz)3)2]Cl2.2H2O | 1.9687 | 35.264 | 1.697 |
[Fe(HC(pz)3)2][Eu(dipic)2(Hdipic)]·4H2O | 1.9682 | 31.666 | 1.66 |
Fe(HC(pz)3)2](C12H25SO4)2 | 1.9617 | 29.488 | 1.475 |
[Fe(HC(pz)3)2](NO3)2.H2O | 1.9616 | 28.016 | 1.372 |
[Fe(HC(pz)3)2](C10H7SO3)2.2H2O | 1.9661 | 28.19 | 1.359 |
[Fe(HC(pz)3)2]Br2 | 1.9663 | 25.166 | 1.28 |
Т, K | 300 | 400 |
---|---|---|
Colour of crystal | | |
d(Fe–N), Å | 1.9825 | 2.1216 |
F, ° | 1.968 | 3.865 |
Σ, ° | 31.596 | 63.912 |
Spin state | LS | HS |
a = b, Å | 12.9805(5) | 13.0341(16) |
c, Å | 13.4503(4) | 13.8143(14) |
V, Å3 | V = 1962.66(12) | 2032.46(41) |
Z | 3 | 3 |
ρ, g/cm3 | 2.01269 | 1.94358 |
Complex | 300 K (LS) before Heating | 475 K (HS) | 300 K (LS) after Cooling | |||
---|---|---|---|---|---|---|
R, Å ± 0.01 Fe–N1 | R, Å ± 0.01 Fe–N2 | R, Å ± 0.01 Fe–N1 | R, Å ± 0.01 Fe–N2 | R, Å ± 0.01 Fe–N1 | R, Å ± 0.01 Fe–N2 | |
[Fe(HC(pz)3)2]B10Cl10 | 1.96 | 2.89 | 2.09 | 2.98 | 1.96 | 2.89 |
[Fe(HC(pz)3)2]B10H10 | 1.96 | 2.89 | 2.13 | 3.01 | 1.96 | 2.89 |
[Fe(HC(pz)3)2]B12H12.2H2O | 1.96 | 2.91 | 2.15 | 3.03 | 1.96 | 2.91 |
Complex | Spin State | ΔE, cm−1 | В, cm−1 | C, cm−1 | cm−1 | |
---|---|---|---|---|---|---|
Fe(Htrz)3A2 | HS | 11,100–11,770 | 600 | 2650 | 11,100–11,770 | 19,240–20,360 (21,120–21,230 [57]) |
LS | 18,200–19,230 | |||||
Fe(NH2trz)3A2 | HS | 10,870–12,990 | 630 | 2780 | 10,870–12,990 | 18,480–19,740 (20,450 [57]) |
LS | 17,550–18,690 | |||||
Fe(4-C2H5-trz)3A2 | HS | 11,630–11,770 | 620 | 2730 | 11,630–11,770 | 18,830 |
LS | 17,860 | |||||
Fe(4-C3H7-trz)3A2 | HS | 11,400–11,800 | 610 | 2690 | 11,400–11,800 | 18,460 |
LS | 17,500 | |||||
[Fe(HC(pz)3)2]A2 | HS | 18,690–20,830 | 690 | 3040 | 19,650–22,010 | |
[Fe(HC(3,5-(CH3)2pz)3)2]A2 | LS | 12,900–14,600 | 720 | 3180 | 12,900–14,600 |
Complex | Т, K | δ, mm/sec | ε, mm/sec |
---|---|---|---|
[Fe(HC(pz)3)2]I2 | 295 | 0.404 | 0.24 |
[Fe(HC(pz)3)2]Br2 | 293 | 0.406 | 0.23 |
[Fe(HC(pz)3)2](SO3CF3)2 | 293 | 0.407 | 0.28 |
[Fe(HC(pz)3)2](ReO4)2 | 293 | 0.416 | 0.22 |
[Fe(HC(pz)3)2]SO4·2H2O | 293 | 0.394 | 0.24 |
[Fe(HC(pz)3)2]SiF6 | 295 | 0.427 | 0.16 |
473 | 0.849 | 3.47 | |
[Fe(HC(pz)3)2](7,8-C2B9H12)2·2H2O | 295 | 0.39 | 0.28 |
[Fe(HC(pz)3)2](1,5,6,10-Br4-7,8-С2B9H8)2·2H2O | 295 | 0.37 | 0.25 |
[Fe(HC(pz)3)2](1,5,6,10-I4-7,8-С2B9H8)2 | 295 | 0.37 | 0.38 |
[Fe(HC(pz)3)2][Mo6Cl14]·2H2O | 295 | 0.500 | 0.341 |
1.395 | 3.570 | ||
[Fe(HC(pz)3)2][Mo6Br14]·H2O | 295 | 0.476 | 0.279 |
1.363 | 3.383 | ||
[Fe(HC(pz)3)2]2[Re6S8(CN)6]·2H2O | 295 | 0.486 | 0.323 |
1.197 | 3.201 | ||
for comparison | |||
Fe(NH2trz)3SiF6 | 293 | 1.04 | 2.78 |
473 | (>0.90) | (<2.69) | |
Fe(Htrz)3SiF6 | 293 | 0.42 | 0.26 |
Fe(Htrz)3I2 | 295 | 0.42 | 0.25 |
δ | ±0.003 | ±0.01 |
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Shakirova, O.G.; Lavrenova, L.G. Spin Crossover in New Iron(II) Coordination Compounds with Tris(pyrazol-1-yl)Methane. Crystals 2020, 10, 843. https://doi.org/10.3390/cryst10090843
Shakirova OG, Lavrenova LG. Spin Crossover in New Iron(II) Coordination Compounds with Tris(pyrazol-1-yl)Methane. Crystals. 2020; 10(9):843. https://doi.org/10.3390/cryst10090843
Chicago/Turabian StyleShakirova, Olga G., and Ludmila G. Lavrenova. 2020. "Spin Crossover in New Iron(II) Coordination Compounds with Tris(pyrazol-1-yl)Methane" Crystals 10, no. 9: 843. https://doi.org/10.3390/cryst10090843
APA StyleShakirova, O. G., & Lavrenova, L. G. (2020). Spin Crossover in New Iron(II) Coordination Compounds with Tris(pyrazol-1-yl)Methane. Crystals, 10(9), 843. https://doi.org/10.3390/cryst10090843